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• W2004560297 abstract "Structural and spectral characteristics of functionalized Au nanoparticles have been studied by electron microscopy, vibrational spectroscopy and quantum chemical methods. Gold nanoparticles were synthesized through a microwave induced reaction, starting with a two phase system using 1-dodecanethiol as passivating agent. The nanoparticles were structurally characterized using aberration-corrected scanning transmission electron microscopy (Cs-STEM) equipped with a high-angle annular dark field (HAADF) detector. The main structures of the nanoparticles were fcc-like and icosahedrons. Density functional theory (DFT) calculations, optimized geometries and vibrational spectra, have been carried out using 6-31G* basis sets and B3LYP functional. The experimental and theoretical infrared spectra of the functionalized Au nanoparticles show the main absorption peaks from 1-dodecanethiol, C-H stretch from CH 2 at 2917, 2848 and from CH 3 at 2954 and 2872 cm -1 , C-H from-CH 2 deformation at 1467 and from CH 3 at 1376 cm -1 . Infrared spectra of octanethiol and gold nanoparticles functionalized with octanethiol were also obtained. These nanostructures can be used in applications such as diagnostics, biosensing, therapeutics, and drug delivery." @default.
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• W2004560297 date "2013-04-01" @default.
• W2004560297 modified "2023-10-14" @default.
• W2004560297 title "Study on the Structure and Vibrational Spectra of Functionalized Au Nanoparticles: Theoretical and Experimental Results" @default.
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• W2004560297 doi "https://doi.org/10.4028/www.scientific.net/msf.755.83" @default.
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